| Popis: |
Conducting polymers (CPs) based sensors have emerged as rapid, cost effective, simple in situ devices for determination of analytes. CPs are much explored sensor materials due to their unique properties like, tunable conductivity, structural versatility, stability and multiple synthetic pathways. In the present work investigations on the sensing ability of poly-pyrrole (PPy) and poly 9-vinyl carbazole (PNVK) for 6-Thioguanine (6-TG) anti-cancer drug molecule through the ab-initio approach have been reported. The sensitivity of poly-pyrrole and poly 9-vinyl carbazole with 6-Thioguanine anti-cancer drug molecule has been discussed in terms of HOMO-LUMO gap, density of states (DOS), adsorption energy (Eads) and recovery time (τ). The computed negative adsorption energy indicates the physical adsorption and exothermic reaction between poly-pyrrole, poly 9-vinyl carbazole and 6-Thioguanine molecule. The investigation revealed that the poly 9-vinyl carbazole is better sensor in terms of stability and recovery time for the detection of 6-Thioguanine anti-cancer drug molecule in comparison to poly-pyrrole. |
Full Text from ScienceDirect